Acquity uplc xevo g2 qtof mass spectrometer

UPLC/MS was performed using a Waters ACQUITY UPLC-Xevo G2 Q-TOF mass spectrometer (Waters, USA). The chromatography was performed on a waters UPLC BEH C18 column (100 mm × 2.1 mm, 1.7 μm). The mobile phases consisted of (A) 0.1% formic acid in water and (B) 0.1% formic acid in ACN. The UPLC elution conditions were as follows: 0 min, 100% A; 1 min, 100% A; 9 min, 100% B; 11 min, 100% B; 11.1 min, 100% A; and 13 min, 100% A. The flow rate was set at 0.3 ml/min. The column was maintained at 55 °C. An injection volume of 10 μl was used for the reference standard and samples. MS analysis was performed using an electrospray ionization (ESI) source in positive mode. The desolvation gas flow rate was set to 750 l/h at a temperature of 500 °C. The cone gas was set to 25 l/h. The source temperature was 100 °C. The capillary and cone voltages were set at 3000 V and 25 V, respectively. MS spectra were acquired from m/z 50 to 1,200. An internal lock mass calibration at m/z 556.2771 with mass resolution >22,000 was used during analysis. The instrument was controlled and data were processed using MassLynx 4.1 software (Waters, USA).

An Acquity UPLC–Xevo G2 QTOF mass spectrometer (Waters, Milford) operated by Waters MassLynx 4.1 software was used for the identification of phenolic acids using the analytical conditions as follows: The compounds were separated on Waters Acquity BEH C18 (1.7 µm, 2.1 mm × 150 mm) column using a gradient of 0.1% formic acid in H₂O (A) and of 0.1% formic acid in acetonitrile (B). The gradient program was carried out as follows: 2%–60% of B in 24 min, 60%–100% of B in 24–31 min, held at 100% of B for 2 min, 100%–2% in 1 min, and held at 2% of B for 4 min. The flow rate was 0.55 ml/min, temperature of the column oven was 45°C, and the injection volume was 2 µl. An electrospray interface (ESI) was used with capillary voltage of −1 kV in negative mode. The sampling cone was set to 35 V and the extraction cone to 4 V. The cone and desolvation nitrogen gas flows were 15 and 990 L/hr, respectively. The desolvation temperature was 550°C. Source temperature was 150°C. Argon was used as the collision gas. MS analyses were performed by data independent acquisition (MSE) centroid data mode in a full scan m/z 50–1200 with 0.2 s scan time. In the MSE function, the precursor ions from the low‐collision energy MS mode were fragmented using high collision energy that ramped up from 15 to 40 eV.